| SpectraBase Spectrum ID |
4f95yeY5ych |
| Name |
Dibenz[C,E]azocin-5(1H)-one, 2,3,4,6,7,8-hexahydro-10,11-dimethoxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
287.152143537 u |
| Formula |
C17H21NO3 |
| InChI |
InChI=1S/C17H21NO3/c1-20-15-9-11-7-8-18-17(19)13-6-4-3-5-12(13)14(11)10-16(15)21-2/h9-10H,3-8H2,1-2H3,(H,18,19) |
| InChIKey |
KGBYRAARKHDUEH-UHFFFAOYSA-N |
| SMILES |
C=12C3=CC(OC)=C(C=C3CCNC(C1CCCC2)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894519 |
![Dibenz[c,e]azocin-5(1H)-one, 2,3,4,6,7,8-hexahydro-10,11-dimethoxy-](/api/spectrum/4f95yeY5ych/structure.png?h=300&w=458 "Dibenz[c,e]azocin-5(1H)-one, 2,3,4,6,7,8-hexahydro-10,11-dimethoxy-")
